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BioLiP

PDB CCD ID: 183
Number of entries in BioLiP: 12
Chemical formula: C21 H22 N2 O5
InChI: InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26)
InChIKey: CSXNPJKDZKLDET-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO
CACTVS 3.341OCCOCN1C=C(Cc2cccc(OCc3ccccc3)c2)C(=O)NC1=O
ACDLabs 10.04O=C1C(=CN(C(=O)N1)COCCO)Cc3cccc(OCc2ccccc2)c3
Name:1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE
ChEMBL: CHEMBL277577
DrugBank: DB06873
ZINC: ZINC000006096461
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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